Open Access

Table C.1

Prompt ions detected from multi-photon ionized benzonitrile (C6H5CN): m/z range 61 to 105. Gaussian fits were applied to determine the center m/z values of the peaks that could be assigned to different combinations of atoms.

MPI m/z (nearest integer or center value) Present assignments@ (with m/z to compare with center value) Alternative ion (m/z) that was not identified& Previous assignments Relevant ion observations in the ISM
105 13C2C5H5N•+ - # -
104 13CC6H5N•+ - # -
103 C6H5CN•+ - # -
102 C7H4N+ - C7H4N+ (2 structures) (1) -
101 C7H3N•+ - # -
100 C7H2N+ - # HC7NH+ (2)
99 C7HN•+ - # -
98 C7N+ - # -
89* C6H3N•+ or C7H5+ - - -
88.015 C6H2N+ (88.019) C7H4•+ (88.031) - -
87.010 C6HN•+ (87.011) C7H3+ (87.024) - -
86* C6N+ or C7H2•+ - - -
78 13CC5H5•+ or 13CC4H3N•+ - - -
77.040 C6H5+ (77.039) and 25% 13CC5H4•+ (77.035) C5H3N•+ (77.027) C6H5+ (1, 3, 4) -
76* C6H4•+ or C5H2N+ - C6H4•+ (3, 5, 6, 7, 8); 2 structures (1) -
75* C6H3+ or C5HN•+ - HC5N•+ (1, 3) -
74* C6H2•+ or C5N+ - - C5N+ (9)
73 C6H+ - # -
72 C6•+ - # -
66% C4H4N•+ - First observed here$ ,# -
65.026 C4H3N•+ (65.027) C5H5+ (65.039) - -
64.017 C4H2N+ (64.019) C5H4•+ (64.031) C4H2N+ (8) -
63* C5H3+ or C4HN•+ - - -
62* C5H2•+ or C4N+ - - -
61 C5H+ - # -

Notes. (@)The assignments in bold were identified using Gaussian fits, or they represent the only possible assignment considering the atomic composition of benzonitrile. (&) However, a possible weak contribution cannot be ruled out. (#)Only one possible assignment. (*)Not possible to obtain a good Gaussian fit due to low signal-to-noise ratios or an asymmetric peak shape. (†)center value ±0.005. (%)The m/z 66 signal is too weak to be discernible in Fig. 2, but we could detect it in an MPI measurement with higher benzonitrile pressure. ($)These peaks were not visible in the NIST mass spectrum (Wallace 2024) or in Martin & O’Malley (1984)’s mass spectra. References. (1) Rap et al. (2023); (2) Cabezas et al. (2022); (3) Kamer et al. (2023); (4) Molenaar-Langeveld et al. (1986); (5) Schug (1964); (6) Baldwin (1979); (7) Rosenstock et al. (1980); (8) Martin & O’Malley (1984); (9) Cernicharo et al. (2022).

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